SCHEMBL6020156

SCHEMBL6020156

CC(C#N)NC(=O)C(CS(C)(=O)=O)NC(=O)CCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
CTSS P25774 8/20 0.36
CTSL P07711 5/20 0.36
CTSK P43235 3/20 0.36
GNPAT O15228 1/20 0.35
CTSB P07858 5/20 0.32
MME P08473 2/20 0.32
ACE P12821 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6020553 0.83 CTSS (0.43) CTSSCTSLCTSKGNPATCTSB
SCHEMBL6020009 0.81 DPP4 (0.39) DPP4CTSSGNPATCTSBMME
SCHEMBL6020152 0.79 CTSB (0.36) CTSSCTSLCTSKGNPATCTSB
SCHEMBL6019904 0.79 DPP4 (0.40) DPP4CTSSCTSLCTSKCTSB
SCHEMBL6019386 0.77 TSHR (0.39) DPP4CTSSCTSLCTSKCTSB
SCHEMBL6020545 0.76 PHF8 (0.36) CTSSCTSLCTSKGNPATCTSB
SCHEMBL6020353 0.76 DPP4 (0.37) DPP4CTSSCTSLCTSKCTSB
SCHEMBL6020983 0.75 CTSS (0.55) CTSSCTSLCTSKCTSBMME
SCHEMBL6020510 0.75 DPP4 (0.36) DPP4CTSSCTSLCTSKCTSB
SCHEMBL6020502 0.75 CTSS (0.38) DPP4CTSSCTSLCTSKCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 DPP4 4543/4885CTSS 2720/4885CTSL 2274/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.